Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL411908

INUCHINENOLIDE C
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C=C1C(=O)O[C@H]2C[C@H](C)[C@@H]3C(OC(C)=O)CC(OC(C)=O)[C@@]3(C)[C@@H](O)[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL411908
Name INUCHINENOLIDE C
Phase Preclinical
Structure Type MOL
InChI Key QFJNAUKGMNMIGV-YRBNLPDFSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
1.37
ALogP
7
HBA
1
HBD
99.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H26O7
MW 366.41
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 3.26

Activity Summary

IC50 2 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
 IC50 6.22 6.22 600.0 1
Platelet
CHEMBL4296519
 IC50 4.47 4.47 33470.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAW264.7 IC50 = 600.0 nM 6.22 Antiinflammatory action in mouse RAW264.7 cells assessed as inhibition of LPS-in... 21894898
Platelet IC50 = 33470.0 nM 4.47 Inhibition of serotonin release in bovine platelets 18271521

Literature References

PubMed DOI Target Context # Activities
21894898 10.1021/np200319x RAW264.7 2
18271521 10.1021/jm701318x Platelet 1

Data from ChEMBL 36 via Core Engine